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Home > Bromides > 1443304-80-0
1443304-80-0 | Ethyl 4-(4-bromo-3-methyl-phenoxy)butanoate
CAS No: 1443304-80-0 Catalog No: AG01FAZ7 MDL No:
Product Description
Catalog Number:
AG01FAZ7
Chemical Name:
Ethyl 4-(4-bromo-3-methyl-phenoxy)butanoate
CAS Number:
1443304-80-0
Molecular Formula:
C13H17BrO3
Molecular Weight:
301.1763
IUPAC Name:
ethyl 4-(4-bromo-3-methylphenoxy)butanoate
InChI:
InChI=1S/C13H17BrO3/c1-3-16-13(15)5-4-8-17-11-6-7-12(14)10(2)9-11/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
GCPAQSLDMWGUCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(c(c1)C)Br
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.18g/mol
Monoisotopic Mass:
300.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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